3-methylbutyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: 3-methylbutyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: isopentyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]anilino]-oxomethyl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenyl]carbamoyl]benzoic acid isoamyl ester Formula: C30H33ClN2O7S2 MolecularWeight: 633.17522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OCCC(C)C)O)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OCCC(C)C)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C30H33ClN2O7S2/c1-5-27(42(38,39)22-12-10-21(41-4)11-13-22)29(36)32-24-17-26(34)25(16-23(24)31)33-28(35)19-6-8-20(9-7-19)30(37)40-15-14-18(2)3/h6-13,16-18,27,34H,5,14-15H2,1-4H3,(H,32,36)(H,33,35)